(4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

C29H33NO2 — CID 118322615

IUPAC(4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO2/c1-28(2,3)23-16-14-22(15-17-23)27(31)30-20-18-26(19-21-30)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,26,32H,18-21H2,1-3H3
InChIKeySSRPEQQTTXNTQE-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.77
Rot. Bonds4

About (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

(4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 118322615) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
PubChem CID118322615
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name(4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO2/c1-28(2,3)23-16-14-22(15-17-23)27(31)30-20-18-26(19-21-30)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,26,32H,18-21H2,1-3H3
InChIKeySSRPEQQTTXNTQE-UHFFFAOYSA-N
XLogP5.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
CID 39380
4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-propylphenyl)butan-1-one
CID 11641076
Cyclohexyl benzamide derivative, 12
CID 25263221
4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 9822639
N,N-diisobutyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10200929
Piperidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10269568
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
N,N-diethyl-4-(4-(3-hydroxyphenyl)-1-phenethylpiperidin-4-yl)benzamide
CID 22729898
(1-Benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
CID 2827008
Loperamide hydrochloride specified impurity D
CID 3705191
4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N-ethyl-N-methylbenzamide
CID 9865332

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (CID 118322615) is (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is SSRPEQQTTXNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c1-28(2,3)23-16-14-22(15-17-23)27(31)30-20-18-26(19-21-30)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,26,32H,18-21H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
(4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 427.59 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118322615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).